| SpectraBase Compound ID | 4PbmZ9dAnay |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-19(9-10-21-17-23(33-7)16-20(2)25(21)31)15-22(29)18-27(5)12-8-13-28(27,6)24(30)11-14-26(3,4)32/h9,11,14,16-17,31-32H,8,10,12-13,15,18H2,1-7H3/b14-11+,19-9+/t27-,28+/m0/s1 |
| InChIKey | WCMKSEHBJAQIDJ-RLZZLTECSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Zjbz01c3aT |
|---|---|
| Name | 4'-METHOXYBIFURCARENONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-19(9-10-21-17-23(33-7)16-20(2)25(21)31)15-22(29)18-27(5)12-8-13-28(27,6)24(30)11-14-26(3,4)32/h9,11,14,16-17,31-32H,8,10,12-13,15,18H2,1-7H3/b14-11+,19-9+/t27-,28+/m0/s1 |
| InChIKey | WCMKSEHBJAQIDJ-RLZZLTECSA-N |
| Literature Reference Author | V.MESGUICHE,R.VALLS,L.PIOVETTI,B.BANAIGS |
| Literature Reference Citation | PHYTOCHEM.,45,1489(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00155-6 |
| Molecular Weight | 456.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP457 |